7-fluoro-2,3-dihydroazepin-6-imine

C6H7FN2 — CID 123993900

IUPAC7-fluoro-2,3-dihydroazepin-6-imine
SMILES[H]/N=C1\C=CCCN=C1F
InChIInChI=1S/C6H7FN2/c7-6-5(8)3-1-2-4-9-6/h1,3,8H,2,4H2/b8-5+
InChIKeyDHKSSRKQGVFESL-VMPITWQZSA-N
MW126.13 g/mol
LogP1.33
Rot. Bonds

About 7-fluoro-2,3-dihydroazepin-6-imine

7-fluoro-2,3-dihydroazepin-6-imine (PubChem CID 123993900) has the molecular formula C6H7FN2 and a molecular weight of 126.13 g/mol. Its IUPAC name is 7-fluoro-2,3-dihydroazepin-6-imine.

Molecular Properties

Compound Name7-fluoro-2,3-dihydroazepin-6-imine
PubChem CID123993900
Molecular FormulaC6H7FN2
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC Name7-fluoro-2,3-dihydroazepin-6-imine
SMILES[H]/N=C1\C=CCCN=C1F
InChIInChI=1S/C6H7FN2/c7-6-5(8)3-1-2-4-9-6/h1,3,8H,2,4H2/b8-5+
InChIKeyDHKSSRKQGVFESL-VMPITWQZSA-N
XLogP1.33
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3-Fluoro-2,3-dihydropyridin-6-yl)methanamine
CID 91464248
7-fluoro-2-[(E)-prop-1-enyl]-2,6-dihydroazepin-5-imine
CID 123675010
(Z)-2-ethylimino-5-fluorohex-3-en-1-amine
CID 143075712
2,6-Dihydroazepin-3-imine
CID 57316147
Pyridin-1-ium-3-imine
CID 101048391

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,3-dihydroazepin-6-imine?
The IUPAC name of 7-fluoro-2,3-dihydroazepin-6-imine (CID 123993900) is 7-fluoro-2,3-dihydroazepin-6-imine.
What is the SMILES notation for 7-fluoro-2,3-dihydroazepin-6-imine?
The canonical SMILES for 7-fluoro-2,3-dihydroazepin-6-imine is [H]/N=C1\C=CCCN=C1F.
What is the InChIKey of 7-fluoro-2,3-dihydroazepin-6-imine?
The InChIKey is DHKSSRKQGVFESL-VMPITWQZSA-N. The full InChI is InChI=1S/C6H7FN2/c7-6-5(8)3-1-2-4-9-6/h1,3,8H,2,4H2/b8-5+.
What are the key properties of 7-fluoro-2,3-dihydroazepin-6-imine?
7-fluoro-2,3-dihydroazepin-6-imine has a molecular weight of 126.13 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,3-dihydroazepin-6-imine is sourced from PubChem (CID 123993900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).